[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine

C15H20FN3 — CID 115436253

IUPAC[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCn1c(C2(CN)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-19-13-9-11(16)5-6-12(13)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyWUNUUVNQBKUSNT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.87
Rot. Bonds2

About [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine

[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 115436253) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID115436253
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCn1c(C2(CN)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-19-13-9-11(16)5-6-12(13)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyWUNUUVNQBKUSNT-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine (CID 115436253) is [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine is Cn1c(C2(CN)CCCCC2)nc2ccc(F)cc21.
What is the InChIKey of [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is WUNUUVNQBKUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19-13-9-11(16)5-6-12(13)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3.
What are the key properties of [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 261.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115436253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).